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6628-83-7 molecular structure
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oxan-2-ylmethanamine hydrochloride

ChemBase ID: 101243
Molecular Formular: C6H14ClNO
Molecular Mass: 151.63446
Monoisotopic Mass: 151.07639175
SMILES and InChIs

SMILES:
O1C(CN)CCCC1.Cl
Canonical SMILES:
NCC1CCCCO1.Cl
InChI:
InChI=1S/C6H13NO.ClH/c7-5-6-3-1-2-4-8-6;/h6H,1-5,7H2;1H
InChIKey:
NGHRATGQJXKQIQ-UHFFFAOYSA-N

Cite this record

CBID:101243 http://www.chembase.cn/molecule-101243.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
oxan-2-ylmethanamine hydrochloride
(oxan-2-yl)methanamine hydrochloride
IUPAC Traditional name
oxan-2-ylmethanamine hydrochloride
Synonyms
tetrahydropyran-2-ylmethylamine hydrochloride
(tetrahydro-2H-pyran-2-ylmethyl)amine hydrochloride
oxan-2-ylmethanamine hydrochloride
CAS Number
6628-83-7
683233-12-7
MDL Number
MFCD06738971
PubChem SID
162087508
PubChem CID
43811037

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -2.749251  LogD (pH = 7.4) -1.8025501 
Log P 0.23769882  Molar Refractivity 32.7745 cm3
Polarizability 13.269628 Å3 Polar Surface Area 35.25 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Product Information Bioassay(PubChem)
Melting Point
136 - 138°C expand Show data source
Hydrophobicity(logP)
0.344 expand Show data source
Purity
95% expand Show data source
98% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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